N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline

C18H17ClN4 — CID 7301273

IUPACN-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
SMILESCc1ccc(-n2nc(C)c(/C=N/Nc3ccccc3)c2Cl)cc1
InChIInChI=1S/C18H17ClN4/c1-13-8-10-16(11-9-13)23-18(19)17(14(2)22-23)12-20-21-15-6-4-3-5-7-15/h3-12,21H,1-2H3/b20-12+
InChIKeyJBSIIVPHFYVHGM-UDWIEESQSA-N
MW324.82 g/mol
LogP4.59
Rot. Bonds4

About N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline

N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline (PubChem CID 7301273) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
PubChem CID7301273
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC NameN-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
SMILESCc1ccc(-n2nc(C)c(/C=N/Nc3ccccc3)c2Cl)cc1
InChIInChI=1S/C18H17ClN4/c1-13-8-10-16(11-9-13)23-18(19)17(14(2)22-23)12-20-21-15-6-4-3-5-7-15/h3-12,21H,1-2H3/b20-12+
InChIKeyJBSIIVPHFYVHGM-UDWIEESQSA-N
XLogP4.59
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]naphthalen-2-amine
CID 3669791
N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline
CID 126002081
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
2-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
CID 45327494
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 4573901
3-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135454378
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-methylaniline
CID 9059416
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5435233
3-[(2Z)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135912590
N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
CID 2451345
N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2,4-difluoroaniline
CID 9058452

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline (CID 7301273) is N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline is Cc1ccc(-n2nc(C)c(/C=N/Nc3ccccc3)c2Cl)cc1.
What is the InChIKey of N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline?
The InChIKey is JBSIIVPHFYVHGM-UDWIEESQSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-13-8-10-16(11-9-13)23-18(19)17(14(2)22-23)12-20-21-15-6-4-3-5-7-15/h3-12,21H,1-2H3/b20-12+.
What are the key properties of N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline?
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline has a molecular weight of 324.82 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline is sourced from PubChem (CID 7301273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).